Molecule Details
InChIKeyXHPVFJGGOWNHQR-QXONTCKQSA-N
Canonical SMILESCC1=NC2(N=C1N)c1cc(-c3cc(Cl)cc(C#N)c3)ccc1C[C@]21CC[C@@H](OC(F)F)CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL8.86
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P56817 BACE1 Homo sapiens Human PF00026 8.9 IC50 ChEMBL;BindingDB
P05067 APP Homo sapiens Human PF10515 PF12924 PF12925 PF02177 PF03494 PF00014 8.8 IC50 ChEMBL;BindingDB